| General Property |
| Molceule ID (DB) | EGIN0002643 |
| Inhibitor Class | Dithiobis-indole |
| Molecule Name in Refrence Article | 10a compound |
| IUPAC Name | N-benzyl-2-[2-({3-[(benzylcarbamoyl)methyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]acetamide |
| Formula | C34H30N4O2S2 |
| Mass | 590.758 |
| Exact Mass | 590.1810176 |
| Composition | C (69.13%), H (5.12%), N (9.48%), O (5.42%), S (10.86%) |
| Atom Count | 72 |
| PI | 5.32 |
| Smiles | c1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1 |
| InChI | 1S/C34H30N4O2S2/c39-31(35-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)37-33(27)41-42-34-28(26-16-8
-10-18-30(26)38-34)20-32(40)36-22-24-13-5-2-6-14-24/h1-18,37-38H,19-22H2,(H,35,39)(H,36,40) |
| InChIKey | ATSKCEZXZQLMAV-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 7510340 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | SRC | |
| Pub Chem Link |
5328569
|
| Drug Bank Link | - |
| ChemSpider Link | 4485733 |
| ChEMBL Link | CHEMBL435831 |
